O-[2-(dimethylamino)ethyl] benzenecarbothioate
Basic information
- CAS
13365-68-9- Standard SMILES
CN(C)CCOC(=S)c1ccccc1- InChIKey
AKRSXCDTAKBRLC-UHFFFAOYSA-N- Molecular formula
- C11H15NOS
- Average molar mass
- 209.31 g/mol
- Monoisotopic mass
- 209.08743528
Names & identifiers
- Preferred name
- O-[2-(dimethylamino)ethyl] benzenecarbothioate
- IUPAC
- O-[2-(dimethylamino)ethyl] benzenecarbothioate
Names & synonyms
O-[2-(dimethylamino)ethyl] benzenecarbothioate13365-68-9SCHEMBL609889DTXSID801247904
Database identifiers
- CAS
13365-68-9- PubChem CID
- 28187
- DTXSID
DTXSID801247904
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 44.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 176
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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